Rb
传统材料 TRAMP-ID: mp-640416 · Space group: P1 (#1)
Basic Information
Formula
Rb
MP-ID
mp-640416
Elements
1
Sites
8
Density
1.5000
g/cm³
Volume
756.93
ų
Cell a
9.3695
Å
Cell b
9.4472
Å
Cell c
10.4362
Å
α Angle
112.92
°
β Angle
113.92
°
γ Angle
92.05
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.92 | 4.9492 | 1.0 | (1,0,1) |
| 18.65 | 4.7582 | 3.4 | (0,1,-2) |
| 18.83 | 4.7125 | 12.1 | (0,2,-1) |
| 18.97 | 4.6788 | 31.3 | (2,0,-1) |
| 20.76 | 4.2784 | 100.0 | (0,0,2) |
| 20.98 | 4.2341 | 45.2 | (0,2,0) |
| 21.24 | 4.1834 | 27.6 | (1,-2,0) |
| 21.32 | 4.1677 | 31.9 | (2,0,0) |
| 21.49 | 4.1350 | 20.6 | (2,-1,0) |
| 21.55 | 4.1240 | 21.0 | (2,-1,-1) |
| 21.62 | 4.1111 | 15.0 | (1,-2,1) |
| 21.71 | 4.0934 | 17.7 | (1,2,-1) |
| 21.85 | 4.0672 | 22.4 | (2,1,-1) |
| 21.97 | 4.0455 | 27.8 | (2,0,-2) |
| 22.06 | 4.0292 | 46.8 | (0,2,-2) |
| 22.40 | 3.9693 | 23.8 | (1,2,-2) |
| 22.43 | 3.9630 | 21.0 | (2,1,-2) |
| 24.13 | 3.6888 | 2.4 | (1,1,1) |
| 24.43 | 3.6440 | 2.7 | (1,-1,-2) |
| 24.80 | 3.5899 | 2.2 | (1,-1,2) |
| 25.58 | 3.4830 | 12.5 | (1,-2,-1) |
| 25.70 | 3.4668 | 17.4 | (1,2,0) |
| 25.91 | 3.4391 | 14.4 | (2,1,0) |
| 26.05 | 3.4201 | 16.6 | (2,-1,1) |
Energy Properties
Formation Energy/atom
0.05673
eV/atom
Energy/atom
-0.92381
eV/atom
Energy above Hull
0.0567
eV/atom
Uncorrected Energy
-0.9238
eV/atom
Volume/atom
94.62
ų
c/a Ratio
1.1139
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0141
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rb · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.535
Family
Pure Metal
Matrix Element
Rb · 1.000
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-640416
Reference Citation
The crystal structure and related material properties of Rb were obtained from the Materials Project database (MP-ID: mp-640416, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Rb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.36948400
_cell_length_b 9.44720856
_cell_length_c 10.43615770
_cell_angle_alpha 112.91897581
_cell_angle_beta 113.91865603
_cell_angle_gamma 92.04699040
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb
_chemical_formula_sum Rb8
_cell_volume 756.92584243
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb Rb0 1 0.21281100 0.61570700 0.77123800 1.0
Rb Rb1 1 0.17562400 0.01789200 0.21073500 1.0
Rb Rb2 1 0.39223700 0.10056600 0.72256000 1.0
Rb Rb3 1 0.70006500 0.22449700 0.25080200 1.0
Rb Rb4 1 0.71757000 0.73096200 0.27413400 1.0
Rb Rb5 1 0.21247200 0.54725500 0.27928400 1.0
Rb Rb6 1 0.91315300 0.15382000 0.76725000 1.0
Rb Rb7 1 0.69934600 0.63026600 0.74873500 1.0
